(6Z)-6-[[4-[3-[4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenoxy]phenoxy]anilino]methylidene]cyclohexa-2,4-dien-1-one
Formula:C32H24N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[[4-[3-[4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenoxy]phenoxy]anilino]methylidene]cyclohexa-2,4-dien-1-one is not a drug-like molecule.
| MolName | (6Z)-6-[[4-[3-[4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenoxy]phenoxy]anilino]methylidene]cyclohexa-2,4-dien-1-one |
| MolecularFormula | C32H24N2O4 |
| Smiles | O=C(C=CC=C1)/C1=C\Nc(cc1)ccc1Oc1cccc(Oc(cc2)ccc2N/C=C(/C=CC=C2)\C2=O)c1 |
| InChI | InChI=1S/C32H24N2O4/c35-31-10-3-1-6-23(31)21-33-25-12-16-27(17-13-25)37-29-8-5-9-30(20-29)38-28-18-14-26(15-19-28)34-22-24-7-2-4-11-32(24)36/h1-22,33-34H |
| InChIK | NJIFQNTYFLEEPS-UHFFFAOYSA-N |
| TotalMolweight | 500.553 |
| Molweight | 500.553 |
| MonoisotopicMass | 500.173608 |
| CLogP | 4.553 |
| CLogS | -8.35 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 399.62 |
| Relative PSA | 0.17266 |
| PolarSurfaceArea | 76.66 |
| Druglikeness | 1.8108 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65789 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 20 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-6-[[4-[3-[4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenoxy]phenoxy]anilino]methylidene]cyclohexa-2,4-dien-1-one | 2 - (6Z)-6-[[4-[3-[4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenoxy]phenoxy]anilino]methylidene]cyclohexa-2,4-dien-1-one
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